AI-204/31750036
TL;DR: AI-204/31750036 (CAS 173550-69-1) is a chemical compound with molecular formula C13H12ClN3O3S and molecular weight 325.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-3-(4-sulfamoylphenyl)urea
Also Known As: 1-(4-chlorophenyl)-3-(4-sulfamoylphenyl)urea, AI-204/31750036, 4-{[(4-chloroanilino)carbonyl]amino}benzenesulfonamide, 3-(4-chlorophenyl)-1-(4-sulfamoylphenyl)urea, Benzenesulfonamide, 4-[[[(4-chlorophenyl)amino]carbonyl]amino]-
| Molecular Formula | C13H12ClN3O3S |
|---|---|
| Molecular Weight | 325.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.02878 |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 173550-69-1 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)N |
| InChIKey | HACQCGHVZICZSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AI-204/31750036 (CAS 173550-69-1), with molecular formula C13H12ClN3O3S and molecular weight 325.03 g/mol. IUPAC: 1-(4-chlorophenyl)-3-(4-sulfamoylphenyl)urea.
Chemical Property Profile of AI-204/31750036
Property Insights of AI-204/31750036
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AI-204/31750036. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AI-204/31750036. Following Lipinski's Rule of Five, AI-204/31750036 has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AI-204/31750036?
The CAS number of AI-204/31750036 is 173550-69-1.
What is the molecular formula of AI-204/31750036?
The molecular formula of AI-204/31750036 is C13H12ClN3O3S.
What is the molecular weight of AI-204/31750036?
The molecular weight of AI-204/31750036 is 325.03 g/mol.
Where can I buy AI-204/31750036?
You can request a quote for AI-204/31750036 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AI-204/31750036?
Yes, KEHONG BIO provides custom synthesis services for AI-204/31750036 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.